11-azidoundecoxy-tert-butyl-diphenylsilane

C27H41N3OSi — CID 138986552

IUPAC11-azidoundecoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCCCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41N3OSi/c1-27(2,3)32(25-19-13-11-14-20-25,26-21-15-12-16-22-26)31-24-18-10-8-6-4-5-7-9-17-23-29-30-28/h11-16,19-22H,4-10,17-18,23-24H2,1-3H3
InChIKeyNQNVHISAVXCOKR-UHFFFAOYSA-N
MW451.73 g/mol
LogP7.38
Rot. Bonds15

About 11-azidoundecoxy-tert-butyl-diphenylsilane

11-azidoundecoxy-tert-butyl-diphenylsilane (PubChem CID 138986552) has the molecular formula C27H41N3OSi and a molecular weight of 451.73 g/mol. Its IUPAC name is 11-azidoundecoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name11-azidoundecoxy-tert-butyl-diphenylsilane
PubChem CID138986552
Molecular FormulaC27H41N3OSi
Molecular Weight451.73 g/mol
Exact Mass451.30
IUPAC Name11-azidoundecoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCCCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41N3OSi/c1-27(2,3)32(25-19-13-11-14-20-25,26-21-15-12-16-22-26)31-24-18-10-8-6-4-5-7-9-17-23-29-30-28/h11-16,19-22H,4-10,17-18,23-24H2,1-3H3
InChIKeyNQNVHISAVXCOKR-UHFFFAOYSA-N
XLogP7.38
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.73
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

9-azidononoxy-tert-butyl-diphenylsilane
CID 155804238
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 10021768
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018

Frequently Asked Questions

What is the IUPAC name of 11-azidoundecoxy-tert-butyl-diphenylsilane?
The IUPAC name of 11-azidoundecoxy-tert-butyl-diphenylsilane (CID 138986552) is 11-azidoundecoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 11-azidoundecoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 11-azidoundecoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCCCCCCCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of 11-azidoundecoxy-tert-butyl-diphenylsilane?
The InChIKey is NQNVHISAVXCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3OSi/c1-27(2,3)32(25-19-13-11-14-20-25,26-21-15-12-16-22-26)31-24-18-10-8-6-4-5-7-9-17-23-29-30-28/h11-16,19-22H,4-10,17-18,23-24H2,1-3H3.
What are the key properties of 11-azidoundecoxy-tert-butyl-diphenylsilane?
11-azidoundecoxy-tert-butyl-diphenylsilane has a molecular weight of 451.73 g/mol, XLogP of 7.38, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azidoundecoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 138986552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).